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10f2621 | 1 2 3 4 5 6 7 8 9 10 11 12 13 14 15 16 17 18 19 20 21 22 23 24 25 26 27 28 29 30 31 32 33 34 35 | #ifndef H_TABIPB_STRUCT_H
#define H_TABIPB_STRUCT_H
struct TABIPBInput {
int mesh_flag_;
double mesh_density_;
double mesh_probe_radius_;
double phys_temp_;
double phys_eps_solute_;
double phys_eps_solvent_;
double phys_bulk_strength_;
int tree_degree_;
int tree_max_per_leaf_;
double tree_theta_;
int precondition_;
int nonpolar_;
int output_data_;
};
struct TABIPBOutput {
double solvation_energy_;
double coulombic_energy_;
double free_energy_;
};
#endif
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